ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate

C16H17ClN2O3 — CID 47794785

IUPACethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1
InChIInChI=1S/C16H17ClN2O3/c1-2-22-15(20)9-19(12-4-5-12)16(21)14-8-10-7-11(17)3-6-13(10)18-14/h3,6-8,12,18H,2,4-5,9H2,1H3
InChIKeyOAXOUZAXPJVBJO-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate

ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate (PubChem CID 47794785) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate
PubChem CID47794785
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1
InChIInChI=1S/C16H17ClN2O3/c1-2-22-15(20)9-19(12-4-5-12)16(21)14-8-10-7-11(17)3-6-13(10)18-14/h3,6-8,12,18H,2,4-5,9H2,1H3
InChIKeyOAXOUZAXPJVBJO-UHFFFAOYSA-N
XLogP2.99
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 33057879
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
CID 61410210
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087
ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate (CID 47794785) is ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.
What is the InChIKey of ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate?
The InChIKey is OAXOUZAXPJVBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-22-15(20)9-19(12-4-5-12)16(21)14-8-10-7-11(17)3-6-13(10)18-14/h3,6-8,12,18H,2,4-5,9H2,1H3.
What are the key properties of ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate?
ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate has a molecular weight of 320.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-1H-indole-2-carbonyl)-cyclopropylamino]acetate is sourced from PubChem (CID 47794785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).